SCHEMBL5723078

SCHEMBL5723078

CCCCc1cc2c(C(=O)OC)ccc(OC)c2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.49
PDE4B Q07343 9/20 0.49
PDE4C Q08493 9/20 0.49
PDE4D Q08499 9/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC3 O15379 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3924757 0.89 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL74713 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5723366 0.81 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5723223 0.80 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL5723221 0.79 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5723113 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5722927 0.79 PDE4D (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL74506 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5723421 0.77 KDM4E (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5674402 0.77 MTNR1A (0.46) KDM4EMAPK1NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 PDE4A 4879/4885PDE4B 4877/4885PDE4C 4882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.